SCHEMBL7430332

SCHEMBL7430332

COC(=O)c1ccc(C(=O)N(C)c2ccccc2N2CCN(C)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 7/20 0.45
HTR1D P28221 7/20 0.45
HTR1B P28222 7/20 0.45
HTR2C P28335 4/20 0.45
HTR6 P50406 3/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
WDR5 P61964 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7418271 0.91 KMT2A (0.47) MAPTTP53TSHRALDH1A1KMT2A
SCHEMBL7419515 0.91 DRD2 (0.45) MAPTTP53TSHRHTR1AHTR1D
SCHEMBL7424234 0.89 MAPT (0.47) MAPTTP53TSHRALDH1A1MAPK1
SCHEMBL7425044 0.85 DRD2 (0.46) ALDH1A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL7965105 0.83 L3MBTL1 (0.46) MAPTTP53TSHRALDH1A1KMT2A
SCHEMBL7422011 0.82 SIRT6 (0.54) MAPTALDH1A1HTR1AHTR6DRD2
SCHEMBL7423134 0.81 PTPN1 (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7426078 0.80 KDM4E (0.48) MAPTTSHRALDH1A1MAPK1KMT2A
SCHEMBL7426352 0.79 MAPK1 (0.63) MAPTTSHRALDH1A1MAPK1KMT2A
SCHEMBL7594888 0.79 KMT2A (0.45) MAPTTP53TSHRALDH1A1HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed